data_global _chemical_name_mineral 'Serpierite' loop_ _publ_author_name 'Sabelli C' 'Zanazzi P F' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 24 _journal_year 1968 _journal_page_first 1214 _journal_page_last 1221 _publ_section_title ; The crystal structure of serpierite ; _database_code_amcsd 0009345 _chemical_compound_source 'Laurion mine, Greece' _chemical_formula_sum 'Ca (Cu2.64 Zn1.36) S2 O17 H12' _cell_length_a 22.186 _cell_length_b 6.250 _cell_length_c 21.853 _cell_angle_alpha 90 _cell_angle_beta 113.36 _cell_angle_gamma 90 _cell_volume 2781.812 _exptl_crystal_density_diffrn 3.080 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ca 0.24230 0.91530 0.14790 1.00000 0.01773 Cu1 0.00100 0.25720 0.00290 0.66000 0.02178 Zn1 0.00100 0.25720 0.00290 0.34000 0.02178 Cu2 0.99570 0.00420 0.12410 0.66000 0.02495 Zn2 0.99570 0.00420 0.12410 0.34000 0.02495 Cu3 0.99660 0.50640 0.12400 0.66000 0.02432 Zn3 0.99660 0.50640 0.12400 0.34000 0.02432 Cu4 0.00000 0.75610 0.25000 0.66000 0.02153 Zn4 0.00000 0.75610 0.25000 0.34000 0.02153 Cu5 0.00000 0.25770 0.25000 0.66000 0.02596 Zn5 0.00000 0.25770 0.25000 0.34000 0.02596 S1 0.15030 0.19580 0.22690 1.00000 0.01634 S2 0.35260 0.30270 0.01020 1.00000 0.01874 O1 0.32920 0.63100 0.20200 1.00000 0.02330 O2 0.16240 0.01100 0.18950 1.00000 0.03293 O3 0.08110 0.25150 0.19750 1.00000 0.03635 O4 0.19360 0.37080 0.23030 1.00000 0.03458 O5 0.42370 0.27280 0.04020 1.00000 0.02546 O6 0.16270 0.05080 0.05180 1.00000 0.03116 O7 0.18080 0.39420 0.00800 1.00000 0.04876 O8 0.33380 0.41900 0.05930 1.00000 0.03736 Wat9 0.18360 0.59680 0.11970 1.00000 0.02292 Wat10 0.29840 0.82220 0.07620 1.00000 0.04319 Wat11 0.30870 0.22420 0.15780 1.00000 0.04534 O-H12 0.04050 -0.00340 0.06460 1.00000 0.01507 O-H13 0.04240 0.51580 0.06330 1.00000 0.01203 O-H14 0.04180 0.76630 0.17800 1.00000 0.02039 O-H15 0.45120 0.77230 0.07350 1.00000 0.02204 O-H16 0.45550 0.52200 0.18920 1.00000 0.01735 O-H17 0.45430 -0.00620 0.18900 1.00000 0.01760